2-hydrazinyl-N-methyl-N-pentylquinazolin-4-amine

C14H21N5 — CID 80894334

IUPAC2-hydrazinyl-N-methyl-N-pentylquinazolin-4-amine
SMILESCCCCCN(C)c1nc(NN)nc2ccccc12
InChIInChI=1S/C14H21N5/c1-3-4-7-10-19(2)13-11-8-5-6-9-12(11)16-14(17-13)18-15/h5-6,8-9H,3-4,7,10,15H2,1-2H3,(H,16,17,18)
InChIKeyWWEDYLCPEOVLNK-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.54
Rot. Bonds6

About 2-hydrazinyl-N-methyl-N-pentylquinazolin-4-amine

2-hydrazinyl-N-methyl-N-pentylquinazolin-4-amine (PubChem CID 80894334) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2-hydrazinyl-N-methyl-N-pentylquinazolin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-methyl-N-pentylquinazolin-4-amine
PubChem CID80894334
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name2-hydrazinyl-N-methyl-N-pentylquinazolin-4-amine
SMILESCCCCCN(C)c1nc(NN)nc2ccccc12
InChIInChI=1S/C14H21N5/c1-3-4-7-10-19(2)13-11-8-5-6-9-12(11)16-14(17-13)18-15/h5-6,8-9H,3-4,7,10,15H2,1-2H3,(H,16,17,18)
InChIKeyWWEDYLCPEOVLNK-UHFFFAOYSA-N
XLogP2.54
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-methyl-N-pentylquinazolin-4-amine?
The IUPAC name of 2-hydrazinyl-N-methyl-N-pentylquinazolin-4-amine (CID 80894334) is 2-hydrazinyl-N-methyl-N-pentylquinazolin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-methyl-N-pentylquinazolin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-methyl-N-pentylquinazolin-4-amine is CCCCCN(C)c1nc(NN)nc2ccccc12.
What is the InChIKey of 2-hydrazinyl-N-methyl-N-pentylquinazolin-4-amine?
The InChIKey is WWEDYLCPEOVLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-3-4-7-10-19(2)13-11-8-5-6-9-12(11)16-14(17-13)18-15/h5-6,8-9H,3-4,7,10,15H2,1-2H3,(H,16,17,18).
What are the key properties of 2-hydrazinyl-N-methyl-N-pentylquinazolin-4-amine?
2-hydrazinyl-N-methyl-N-pentylquinazolin-4-amine has a molecular weight of 259.36 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-methyl-N-pentylquinazolin-4-amine is sourced from PubChem (CID 80894334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).